(5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C16H28N4O4 — CID 97360271

IUPAC(5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1C[C@@]2(CC1=O)CN(C(=O)COC)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C16H28N4O4/c1-5-18-10-16(8-13(18)21)11-19(14(22)9-24-4)6-7-20(12-16)15(23)17(2)3/h5-12H2,1-4H3/t16-/m0/s1
InChIKeyCHEFWNNHTQQCEL-INIZCTEOSA-N
MW340.42 g/mol
LogP-0.30
Rot. Bonds3

About (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

(5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 97360271) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name(5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID97360271
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name(5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1C[C@@]2(CC1=O)CN(C(=O)COC)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C16H28N4O4/c1-5-18-10-16(8-13(18)21)11-19(14(22)9-24-4)6-7-20(12-16)15(23)17(2)3/h5-12H2,1-4H3/t16-/m0/s1
InChIKeyCHEFWNNHTQQCEL-INIZCTEOSA-N
XLogP-0.30
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 97360271) is (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1C[C@@]2(CC1=O)CN(C(=O)COC)CCN(C(=O)N(C)C)C2.
What is the InChIKey of (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is CHEFWNNHTQQCEL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-5-18-10-16(8-13(18)21)11-19(14(22)9-24-4)6-7-20(12-16)15(23)17(2)3/h5-12H2,1-4H3/t16-/m0/s1.
What are the key properties of (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
(5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 340.42 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 97360271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).